3-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-2-4-10-14-15-12(20-10)13-11(17)8-5-3-6-9(7-8)16(18)19/h3,5-7H,2,4H2,1H3,(H,13,15,17)